# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54440397
_cell_length_b   11.39871848
_cell_length_c   46.72094852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al162
_cell_volume   5849.80726348
_cell_formula_units_Z   162
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.762467  0.244245  0.280548  1
  Al  Al2  1  0.241244  0.744694  0.302115  1
  Al  Al3  1  0.146922  1.005358  0.316495  1
  Al  Al4  1  0.543067  0.031991  0.335648  1
  Al  Al5  1  0.855508  0.697229  0.289966  1
  Al  Al6  1  0.188029  0.335387  0.299445  1
  Al  Al7  1  0.540667  0.400672  0.285738  1
  Al  Al8  1  0.484725  0.644101  0.300342  1
  Al  Al9  1  0.810164  0.350402  0.336220  1
  Al  Al10  1  0.636475  0.787708  0.315490  1
  Al  Al11  1  0.106651  0.585811  0.288463  1
  Al  Al12  1  0.994576  0.856653  0.302254  1
  Al  Al13  1  0.390955  0.895836  0.316924  1
  Al  Al14  1  0.731891  0.517198  0.295486  1
  Al  Al15  1  0.954518  0.326386  0.287058  1
  Al  Al16  1  0.439184  0.217915  0.297862  1
  Al  Al17  1  0.331365  0.486984  0.315575  1
  Al  Al18  1  0.650342  0.215176  0.325938  1
  Al  Al19  1  0.746232  0.980468  0.301452  1
  Al  Al20  1  0.113644  0.663241  0.342542  1
  Al  Al21  1  0.012811  0.918256  0.358741  1
  Al  Al22  1  0.402451  0.951153  0.375897  1
  Al  Al23  1  0.741579  0.597242  0.352513  1
  Al  Al24  1  0.054889  0.249406  0.338581  1
  Al  Al25  1  0.436834  0.292883  0.354288  1
  Al  Al26  1  0.340746  0.549544  0.371853  1
  Al  Al27  1  0.664699  0.278552  0.380117  1
  Al  Al28  1  0.492399  0.707039  0.356900  1
  Al  Al29  1  0.964864  0.505548  0.325992  1
  Al  Al30  1  0.862668  0.776947  0.342996  1
  Al  Al31  1  0.253797  0.812903  0.357856  1
  Al  Al32  1  0.566794  0.465506  0.340282  1
  Al  Al33  1  0.908002  0.109720  0.319173  1
  Al  Al34  1  0.296068  0.141513  0.336606  1
  Al  Al35  1  0.186114  0.406468  0.355185  1
  Al  Al36  1  0.552990  0.092983  0.393274  1
  Al  Al37  1  0.650019  0.841706  0.374335  1
  Al  Al38  1  0.972335  0.578643  0.382021  1
  Al  Al39  1  0.874431  0.835527  0.400921  1
  Al  Al40  1  0.264165  0.871353  0.417891  1
  Al  Al41  1  0.572600  0.526726  0.398171  1
  Al  Al42  1  0.912357  0.168824  0.376921  1
  Al  Al43  1  0.305003  0.203000  0.394294  1
  Al  Al44  1  0.196232  0.463141  0.414194  1
  Al  Al45  1  0.562202  0.153603  0.454078  1
  Al  Al46  1  0.351008  0.605292  0.431976  1
  Al  Al47  1  0.821319  0.417365  0.395173  1
  Al  Al48  1  0.752076  0.656579  0.414579  1
  Al  Al49  1  0.128911  0.721999  0.399965  1
  Al  Al50  1  0.450310  0.347845  0.413453  1
  Al  Al51  1  0.767648  0.023264  0.360236  1
  Al  Al52  1  0.158140  0.058747  0.376686  1
  Al  Al53  1  0.061500  0.311716  0.396044  1
  Al  Al54  1  0.411847  0.013913  0.435647  1
  Al  Al55  1  0.503629  0.766704  0.416657  1
  Al  Al56  1  0.831502  0.477114  0.456338  1
  Al  Al57  1  0.762043  0.717472  0.475223  1
  Al  Al58  1  0.138155  0.781267  0.459603  1
  Al  Al59  1  0.460926  0.407062  0.473444  1
  Al  Al60  1  0.772554  0.088892  0.419486  1
  Al  Al61  1  0.167680  0.121913  0.436549  1
  Al  Al62  1  0.071374  0.372404  0.456024  1
  Al  Al63  1  0.421020  0.073041  0.496047  1
  Al  Al64  1  0.206381  0.522586  0.474270  1
  Al  Al65  1  0.674959  0.339634  0.438987  1
  Al  Al66  1  0.582187  0.585929  0.458181  1
  Al  Al67  1  0.984201  0.637953  0.441715  1
  Al  Al68  1  0.314923  0.263408  0.455033  1
  Al  Al69  1  0.659866  0.904055  0.434543  1
  Al  Al70  1  0.019629  0.980351  0.418262  1
  Al  Al71  1  0.922737  0.230924  0.437079  1
  Al  Al72  1  0.273207  0.931631  0.477782  1
  Al  Al73  1  0.360342  0.665215  0.491770  1
  Al  Al74  1  0.684832  0.398808  0.498833  1
  Al  Al75  1  0.592117  0.645646  0.518007  1
  Al  Al76  1  0.993793  0.697816  0.501732  1
  Al  Al77  1  0.324627  0.322932  0.515263  1
  Al  Al78  1  0.669515  0.964094  0.494834  1
  Al  Al79  1  0.029317  0.040441  0.478231  1
  Al  Al80  1  0.932820  0.290379  0.497379  1
  Al  Al81  1  0.282429  0.991066  0.537952  1
  Al  Al82  1  0.081019  0.431903  0.515972  1
  Al  Al83  1  0.571850  0.213234  0.514168  1
  Al  Al84  1  0.470722  0.466468  0.533181  1
  Al  Al85  1  0.841461  0.536943  0.516649  1
  Al  Al86  1  0.176997  0.181653  0.496873  1
  Al  Al87  1  0.512681  0.826767  0.476676  1
  Al  Al88  1  0.883651  0.896113  0.460518  1
  Al  Al89  1  0.782366  0.149370  0.479433  1
  Al  Al90  1  0.147484  0.841000  0.519437  1
  Al  Al91  1  0.215965  0.581865  0.534078  1
  Al  Al92  1  0.581773  0.272318  0.574246  1
  Al  Al93  1  0.481035  0.527066  0.592536  1
  Al  Al94  1  0.851462  0.596984  0.576968  1
  Al  Al95  1  0.186578  0.241147  0.557177  1
  Al  Al96  1  0.522385  0.886362  0.536809  1
  Al  Al97  1  0.893296  0.956025  0.520449  1
  Al  Al98  1  0.791911  0.209130  0.539438  1
  Al  Al99  1  0.156180  0.901752  0.579671  1
  Al  Al100  1  0.942654  0.350006  0.557628  1
  Al  Al101  1  0.430600  0.132310  0.556181  1
  Al  Al102  1  0.334952  0.382127  0.575407  1
  Al  Al103  1  0.694773  0.458695  0.558691  1
  Al  Al104  1  0.038647  0.099982  0.538428  1
  Al  Al105  1  0.369872  0.724834  0.551157  1
  Al  Al106  1  0.771963  0.777385  0.535539  1
  Al  Al107  1  0.679266  0.023677  0.554933  1
  Al  Al108  1  0.003400  0.758189  0.561878  1
  Al  Al109  1  0.091135  0.491049  0.576072  1
  Al  Al110  1  0.440798  0.190930  0.616868  1
  Al  Al111  1  0.345217  0.445992  0.634683  1
  Al  Al112  1  0.705457  0.520240  0.618891  1
  Al  Al113  1  0.048087  0.160255  0.598897  1
  Al  Al114  1  0.379286  0.785251  0.609679  1
  Al  Al115  1  0.781857  0.837899  0.595783  1
  Al  Al116  1  0.688300  0.083365  0.615264  1
  Al  Al117  1  0.012495  0.819692  0.622438  1
  Al  Al118  1  0.801824  0.269570  0.599590  1
  Al  Al119  1  0.291650  0.051726  0.598506  1
  Al  Al120  1  0.197750  0.302040  0.617840  1
  Al  Al121  1  0.591374  0.336526  0.633403  1
  Al  Al122  1  0.902331  0.016636  0.580789  1
  Al  Al123  1  0.225365  0.642491  0.593485  1
  Al  Al124  1  0.602471  0.705922  0.578019  1
  Al  Al125  1  0.532106  0.946562  0.597327  1
  Al  Al126  1  0.863304  0.659787  0.636678  1
  Al  Al127  1  0.952673  0.411610  0.617925  1
  Al  Al128  1  0.304131  0.108306  0.659767  1
  Al  Al129  1  0.210689  0.364551  0.675802  1
  Al  Al130  1  0.599785  0.404900  0.689139  1
  Al  Al131  1  0.912725  0.075846  0.641151  1
  Al  Al132  1  0.234763  0.704580  0.651514  1
  Al  Al133  1  0.615154  0.767875  0.638115  1
  Al  Al134  1  0.540265  1.005182  0.659303  1
  Al  Al135  1  0.878510  0.712828  0.695305  1
  Al  Al136  1  0.696199  0.148779  0.672226  1
  Al  Al137  1  0.165775  0.962682  0.640155  1
  Al  Al138  1  0.060930  0.220929  0.657436  1
  Al  Al139  1  0.452548  0.254918  0.673904  1
  Al  Al140  1  0.790705  0.898938  0.655373  1
  Al  Al141  1  0.101455  0.554483  0.635565  1
  Al  Al142  1  0.489291  0.592924  0.650514  1
  Al  Al143  1  0.391993  0.844584  0.664997  1
  Al  Al144  1  0.718081  0.581225  0.676108  1
  Al  Al145  1  0.814211  0.327638  0.658692  1
  Al  Al146  1  0.166855  0.031886  0.698033  1
  Al  Al147  1  0.065714  0.290398  0.713981  1
  Al  Al148  1  0.458778  0.330689  0.728269  1
  Al  Al149  1  0.807802  0.965985  0.711174  1
  Al  Al150  1  0.117106  0.609625  0.694389  1
  Al  Al151  1  0.505745  0.658307  0.706987  1
  Al  Al152  1  0.405172  0.937958  0.713779  1
  Al  Al153  1  0.815517  0.403591  0.714669  1
  Al  Al154  1  0.561633  0.076660  0.714761  1
  Al  Al155  1  0.024436  0.877014  0.680730  1
  Al  Al156  1  0.922706  0.142820  0.697818  1
  Al  Al157  1  0.312239  0.187385  0.715214  1
  Al  Al158  1  0.636790  0.824804  0.696896  1
  Al  Al159  1  0.965160  0.471497  0.675349  1
  Al  Al160  1  0.356175  0.512938  0.691218  1
  Al  Al161  1  0.254845  0.773974  0.706264  1
  Al  Al162  1  0.709753  0.221501  0.726732  1
